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» Sequence variation in ligand binding sites in proteins
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BMCBI
2005
97views more  BMCBI 2005»
13 years 4 months ago
Sequence variation in ligand binding sites in proteins
Background: The recent explosion in the availability of complete genome sequences has led to the cataloging of tens of thousands of new proteins and putative proteins. Many of the...
Thomas J. Magliery, Lynne Regan
BMCBI
2010
123views more  BMCBI 2010»
13 years 4 months ago
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
Brice Hoffmann, Mikhail Zaslavskiy, Jean-Philippe ...
ISVC
2007
Springer
13 years 11 months ago
Integrative Geometric-Hashing Approaches to Binding Site Modeling and Ligand-Protein Interaction Prediction
Abstract. The function of a protein is dependent on whether and how it can interact with various ligands. Therefore, an accurate prediction of protein-ligand interactions is paramo...
Joanna Lipinski-Kruszka, Rahul Singh
BMCBI
2006
103views more  BMCBI 2006»
13 years 4 months ago
Domain-based small molecule binding site annotation
Background: Accurate small molecule binding site information for a protein can facilitate studies in drug docking, drug discovery and function prediction, but small molecule bindi...
Kevin A. Snyder, Howard J. Feldman, Michel Dumonti...
NIPS
2008
13 years 6 months ago
Predicting the Geometry of Metal Binding Sites from Protein Sequence
Metal binding is important for the structural and functional characterization of proteins. Previous prediction efforts have only focused on bonding state, i.e. deciding which prot...
Paolo Frasconi, Andrea Passerini